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José Elguero

Researcher at Spanish National Research Council

Publications -  1374
Citations -  31355

José Elguero is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Hydrogen bond & Tautomer. The author has an hindex of 69, co-authored 1346 publications receiving 29017 citations. Previous affiliations of José Elguero include Université Paul Cézanne Aix-Marseille III & Complutense University of Madrid.

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An experimental (NMR) and theoretical (GIAO) study of the tautomerism of benzotriazole in solution

TL;DR: In this paper, the 1 H, 13 C and 15 N chemical shifts of benzotriazole and its adducts with acetone have been measured using dynamic 13 C NMR spectroscopy in the +30/−90°C range.
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A DFT and AIM analysis of the spin-spin couplings across the hydrogen bond in the 2-fluorobenzamide and related compounds.

TL;DR: D density functional theory (DFT) calculations are provided that justify the existence of a weak HB in the absence of solvent, while solvents that act as HB acceptors break down the intramolecular hydrogen bond (IMHB) of 2‐fluorobenzamide.
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Host–Guest Chemistry: Oxoanion Recognition Based on Combined Charge‐Assisted C−H or Halogen‐Bonding Interactions and Anion⋅⋅⋅Anion Interactions Mediated by Hydrogen Bonds

TL;DR: NMR spectroscopic data indicate the simultaneous occurrence of several charge-assisted aliphatic and heteroaromatic C-H noncovalent interactions and combinations of C- H hydrogen and halogen bonding.